SCHEMBL3890296

SCHEMBL3890296

CSc1cc(Cl)ccc1C(C)(C)CC(O)(CC(=O)O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.38
NR3C2 P08235 5/20 0.38
PGR P06401 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.36
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
ACLY P53396 3/20 0.34
TBXA2R P21731 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3890287 1.00 NR3C1 (0.38) NR3C1NR3C2PGRLMNATSHR
SCHEMBL4421860 0.81 NR3C1 (0.44) NR3C1NR3C2PGRLMNATSHR
SCHEMBL4421863 0.81 NR3C1 (0.44) NR3C1NR3C2PGRLMNATSHR
SCHEMBL1492571 0.78 CCR2 (0.36) LMNATSHRHTTSMN1; SMN2PDK1
SCHEMBL379407 0.69 NR3C1 (0.61) NR3C1NR3C2PGRCYP3A4
SCHEMBL379408 0.69 NR3C1 (0.61) NR3C1NR3C2PGRCYP3A4
SCHEMBL30898360 0.69 CCR2 (0.47) TSHRHTTCYP3A4
SCHEMBL18858411 0.69 CCR2 (0.47) TSHRHTTCYP3A4
SCHEMBL1492541 0.68 CCR2 (0.38) LMNATSHRHTTSMN1; SMN2PDK1
SCHEMBL4772164 0.67 NR3C1 (0.69) NR3C1NR3C2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.